SCHEMBL6804668

SCHEMBL6804668

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(C)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.77
LMNA P02545 2/20 0.77
NR3C2 P08235 5/20 0.72
NR3C1 P04150 4/20 0.72
PGR P06401 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
CYP2C19 P33261 2/20 0.72
HSD17B10 Q99714 2/20 0.72
SHBG P04278 2/20 0.72
SERPINA6 P08185 2/20 0.72
CYP3A4 P08684 2/20 0.72
NFKB1 P19838 2/20 0.72
MAPT P10636 1/20 0.72
KMT2A Q03164 1/20 0.72
ALDH1A1 P00352 1/20 0.69
ADRA1A P35348 1/20 0.69
HTR2B P41595 1/20 0.69
AR P10275 1/20 0.66
CHRM1 P11229 1/20 0.66
HSD11B1 P28845 2/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9650590 1.00 HIF1A (0.77) HIF1ALMNANR3C2NR3C1PGR
SCHEMBL8342176 1.00 HIF1A (0.77) HIF1ALMNANR3C2NR3C1PGR
SCHEMBL8342173 1.00 HIF1A (0.77) HIF1ALMNANR3C2NR3C1PGR
SCHEMBL18885151 1.00 HIF1A (0.77) HIF1ALMNANR3C2NR3C1PGR
SCHEMBL25181279 0.88 HIF1A (0.83) HIF1ALMNANR3C2NR3C1PGR
SCHEMBL9126888 0.87 NR3C1 (0.67) HIF1ALMNANR3C2NR3C1PGR
SCHEMBL9463560 0.87 NR3C1 (0.67) HIF1ALMNANR3C2NR3C1PGR
SCHEMBL9126883 0.87 NR3C1 (0.67) HIF1ALMNANR3C2NR3C1PGR
SCHEMBL2484782 0.87 HIF1A (0.84) HIF1ALMNANR3C2NR3C1PGR
SCHEMBL2507571 0.87 HIF1A (1.00) HIF1ALMNANR3C2NR3C1PGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-210059004-U Automatic parcel sorting system 邹睿恺 2020-02-14 CN disclosed
US-20040132698-A1 Androgen as a male contraceptive and non-contraceptive androgen replacement MOO-YOUNG ALFRED J (US) 2004-07-08 US disclosed